REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ghw_1_B DATA FIRST_RESID 1 DATA SEQUENCE EVQLVQSGGG VVQPGKSLRL ScAASGFAFS SYAMHWVRQA PGKGLEWVAV DATA SEQUENCE ISYDGSNKYY ADSVKGRFTI SRDNSKNTLY LQMNSLRAED TAVYYcARDR DATA SEQUENCE SYYLDYWGQG TLVTVSSGGX XXXXXXXXXX XSETTLTQSP ATLSLSPGER DATA SEQUENCE ATLScRASQS VRSNLAWYQQ KPGQAPRPLI YDASTRATGI PDRFSGSGSG DATA SEQUENCE TDFTLTISRL EPEDFAVYYc QQRSNWPPTF GQGTKVEVKS GLVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.543 176.600 -0.096 0.000 1.382 1 E CA 0.000 56.381 56.400 -0.032 0.000 0.976 1 E CB 0.000 29.708 29.700 0.013 0.000 0.812 2 V N 3.431 123.153 119.914 -0.321 0.000 2.572 2 V HA 0.249 4.369 4.120 0.001 0.000 0.291 2 V C -0.016 175.954 176.094 -0.208 0.000 1.039 2 V CA 0.336 62.386 62.300 -0.417 0.000 1.055 2 V CB 1.177 32.190 31.823 -1.350 0.000 0.969 2 V HN 0.620 nan 8.190 nan 0.000 0.482 3 Q N 4.146 123.952 119.800 0.010 0.000 2.323 3 Q HA 0.667 5.007 4.340 0.001 0.000 0.271 3 Q C -1.413 174.647 176.000 0.099 0.000 1.048 3 Q CA -0.299 55.534 55.803 0.050 0.000 0.792 3 Q CB 1.992 30.750 28.738 0.034 0.000 1.280 3 Q HN 0.698 nan 8.270 nan 0.000 0.441 4 L N 3.287 124.569 121.223 0.098 0.000 2.415 4 L HA 0.625 4.965 4.340 0.001 0.000 0.268 4 L C -1.071 175.843 176.870 0.073 0.000 0.984 4 L CA -0.999 53.894 54.840 0.089 0.000 0.853 4 L CB 1.791 43.913 42.059 0.105 0.000 1.215 4 L HN 0.310 nan 8.230 nan 0.000 0.419 5 V N 3.062 122.998 119.914 0.036 0.000 2.357 5 V HA 0.360 4.480 4.120 0.001 0.000 0.284 5 V C -0.021 176.097 176.094 0.041 0.000 1.018 5 V CA -0.583 61.742 62.300 0.041 0.000 0.841 5 V CB 1.595 33.431 31.823 0.022 0.000 0.991 5 V HN 0.724 nan 8.190 nan 0.000 0.437 6 Q N 2.523 122.368 119.800 0.075 0.000 2.221 6 Q HA 0.774 5.114 4.340 0.001 0.000 0.242 6 Q C -0.207 175.840 176.000 0.080 0.000 0.940 6 Q CA -0.445 55.421 55.803 0.106 0.000 0.896 6 Q CB 2.095 30.927 28.738 0.158 0.000 1.226 6 Q HN 0.934 nan 8.270 nan 0.000 0.463 7 S N -1.453 114.298 115.700 0.085 0.000 2.570 7 S HA 0.754 5.224 4.470 0.001 0.000 0.270 7 S C -0.009 174.613 174.600 0.036 0.000 1.149 7 S CA -0.306 57.924 58.200 0.051 0.000 0.837 7 S CB 1.711 64.934 63.200 0.038 0.000 1.124 7 S HN 1.024 nan 8.310 nan 0.000 0.465 8 G N -0.202 108.601 108.800 0.004 0.000 2.226 8 G HA2 0.177 4.138 3.960 0.001 0.000 0.176 8 G HA3 0.177 4.138 3.960 0.001 0.000 0.176 8 G C 0.549 175.409 174.900 -0.066 0.000 1.042 8 G CA 0.140 45.221 45.100 -0.031 0.000 0.732 8 G HN 1.327 nan 8.290 nan 0.000 0.494 9 G N -0.362 108.411 108.800 -0.044 0.000 2.803 9 G HA2 0.826 4.786 3.960 0.001 0.000 0.177 9 G HA3 0.826 4.786 3.960 0.001 0.000 0.177 9 G C 1.108 175.976 174.900 -0.053 0.000 1.629 9 G CA 1.178 46.247 45.100 -0.052 0.000 1.077 9 G HN 2.153 nan 8.290 nan 0.000 0.556 10 G N -3.206 105.574 108.800 -0.033 0.000 2.663 10 G HA2 0.215 4.175 3.960 0.001 0.000 0.686 10 G HA3 0.215 4.175 3.960 0.001 0.000 0.686 10 G C -0.775 174.107 174.900 -0.029 0.000 1.288 10 G CA -0.329 44.754 45.100 -0.029 0.000 0.836 10 G HN 1.293 nan 8.290 nan 0.000 0.584 11 V N 0.704 120.605 119.914 -0.022 0.000 2.407 11 V HA 0.671 4.791 4.120 0.001 0.000 0.278 11 V C 1.129 177.208 176.094 -0.025 0.000 1.037 11 V CA 0.162 62.452 62.300 -0.016 0.000 0.900 11 V CB 0.777 32.595 31.823 -0.008 0.000 0.983 11 V HN 1.670 nan 8.190 nan 0.000 0.459 12 V N 2.284 122.183 119.914 -0.026 0.000 3.158 12 V HA 0.651 4.772 4.120 0.001 0.000 0.315 12 V C -0.524 175.560 176.094 -0.017 0.000 1.148 12 V CA -0.989 61.294 62.300 -0.029 0.000 1.042 12 V CB 1.859 33.654 31.823 -0.047 0.000 1.101 12 V HN 0.776 nan 8.190 nan 0.000 0.448 13 Q N 0.719 120.509 119.800 -0.018 0.000 2.221 13 Q HA 0.470 4.810 4.340 0.001 0.000 0.242 13 Q C -2.558 173.438 176.000 -0.008 0.000 0.940 13 Q CA -1.879 53.918 55.803 -0.010 0.000 0.896 13 Q CB 1.567 30.298 28.738 -0.011 0.000 1.226 13 Q HN 0.562 nan 8.270 nan 0.000 0.463 14 P HA -0.076 nan 4.420 nan 0.000 0.264 14 P C 0.371 177.671 177.300 -0.001 0.000 1.183 14 P CA 1.136 64.239 63.100 0.005 0.000 0.763 14 P CB 0.313 32.017 31.700 0.008 0.000 0.807 15 G N 1.000 109.801 108.800 0.002 0.000 2.205 15 G HA2 -0.218 3.743 3.960 0.001 0.000 0.261 15 G HA3 -0.218 3.743 3.960 0.001 0.000 0.261 15 G C 0.368 175.257 174.900 -0.018 0.000 0.980 15 G CA -0.035 45.062 45.100 -0.005 0.000 0.632 15 G HN 0.484 nan 8.290 nan 0.000 0.533 16 K N 0.496 120.881 120.400 -0.026 0.000 2.127 16 K HA 0.719 5.039 4.320 0.001 0.000 0.240 16 K C 0.221 176.781 176.600 -0.067 0.000 1.024 16 K CA -0.095 56.166 56.287 -0.044 0.000 0.918 16 K CB 1.077 33.550 32.500 -0.044 0.000 1.108 16 K HN 0.210 nan 8.250 nan 0.000 0.485 17 S N 0.084 115.730 115.700 -0.090 0.000 2.568 17 S HA 0.691 5.161 4.470 0.001 0.000 0.293 17 S C -0.532 173.971 174.600 -0.161 0.000 1.089 17 S CA -0.834 57.286 58.200 -0.135 0.000 0.945 17 S CB 1.455 64.579 63.200 -0.126 0.000 1.077 17 S HN 0.347 nan 8.310 nan 0.000 0.485 18 L N 1.338 122.422 121.223 -0.231 0.000 2.415 18 L HA 0.625 4.966 4.340 0.001 0.000 0.256 18 L C -0.585 176.106 176.870 -0.298 0.000 1.010 18 L CA -0.755 53.940 54.840 -0.241 0.000 0.826 18 L CB 2.428 44.330 42.059 -0.261 0.000 1.405 18 L HN 0.539 nan 8.230 nan 0.000 0.410 19 R N 1.976 122.334 120.500 -0.238 0.000 2.437 19 R HA 0.701 5.041 4.340 0.001 0.000 0.310 19 R C -1.713 174.472 176.300 -0.190 0.000 0.955 19 R CA -0.566 55.400 56.100 -0.224 0.000 0.851 19 R CB 1.344 31.555 30.300 -0.148 0.000 1.161 19 R HN 0.566 nan 8.270 nan 0.000 0.446 20 L N 2.516 123.584 121.223 -0.258 0.000 2.322 20 L HA 0.470 4.810 4.340 0.001 0.000 0.279 20 L C -0.084 176.842 176.870 0.093 0.000 1.036 20 L CA -0.729 54.002 54.840 -0.182 0.000 0.807 20 L CB 2.015 43.768 42.059 -0.510 0.000 1.226 20 L HN 0.642 nan 8.230 nan 0.000 0.433 21 S N 0.692 116.503 115.700 0.184 0.000 2.568 21 S HA 0.524 4.994 4.470 0.001 0.000 0.302 21 S C -1.122 173.597 174.600 0.198 0.000 1.082 21 S CA -0.520 57.794 58.200 0.191 0.000 1.009 21 S CB 1.948 65.236 63.200 0.145 0.000 1.069 21 S HN 0.707 nan 8.310 nan 0.000 0.500 22 c N 3.365 121.993 118.600 0.047 0.000 2.660 22 c HA 0.762 5.333 4.570 0.001 0.000 0.336 22 c C -0.049 173.947 174.090 -0.156 0.000 1.058 22 c CA -0.533 55.790 56.329 -0.010 0.000 1.368 22 c CB -1.079 41.391 42.510 -0.067 0.000 1.884 22 c HN 0.950 nan 8.230 nan 0.000 0.454 23 A N 4.576 127.311 122.820 -0.142 0.000 2.320 23 A HA 0.765 5.086 4.320 0.001 0.000 0.287 23 A C 0.377 177.833 177.584 -0.213 0.000 1.181 23 A CA 0.261 52.161 52.037 -0.227 0.000 0.831 23 A CB 0.495 19.404 19.000 -0.150 0.000 1.102 23 A HN 1.768 nan 8.150 nan 0.000 0.513 24 A N 2.596 125.181 122.820 -0.392 0.000 2.312 24 A HA 0.829 5.149 4.320 0.001 0.000 0.326 24 A C 0.357 177.758 177.584 -0.305 0.000 1.172 24 A CA 0.180 52.054 52.037 -0.271 0.000 0.821 24 A CB 0.668 19.463 19.000 -0.342 0.000 1.166 24 A HN 2.064 nan 8.150 nan 0.000 0.493 25 S N -0.104 115.512 115.700 -0.140 0.000 2.625 25 S HA 0.708 5.178 4.470 0.001 0.000 0.271 25 S C 0.420 175.024 174.600 0.007 0.000 1.161 25 S CA 0.154 58.270 58.200 -0.140 0.000 0.820 25 S CB 0.998 64.147 63.200 -0.085 0.000 1.137 25 S HN 2.616 nan 8.310 nan 0.000 0.470 26 G N 0.202 108.997 108.800 -0.010 0.000 2.143 26 G HA2 -0.079 3.881 3.960 0.001 0.000 0.248 26 G HA3 -0.079 3.881 3.960 0.001 0.000 0.248 26 G C -0.177 174.836 174.900 0.189 0.000 0.991 26 G CA 0.779 45.917 45.100 0.065 0.000 0.689 26 G HN 2.063 nan 8.290 nan 0.000 0.522 27 F N -3.960 115.958 119.950 -0.053 0.000 2.770 27 F HA 0.727 5.254 4.527 0.000 0.000 0.313 27 F C -0.111 175.741 175.800 0.087 0.000 1.154 27 F CA -1.218 56.770 58.000 -0.020 0.000 0.923 27 F CB 0.691 39.599 39.000 -0.154 0.000 1.301 27 F HN 0.682 nan 8.300 nan 0.000 0.449 28 A N 2.372 125.344 122.820 0.253 0.000 3.026 28 A HA 0.231 4.551 4.320 0.001 0.000 0.272 28 A C 0.848 178.584 177.584 0.253 0.000 1.782 28 A CA -0.256 51.896 52.037 0.191 0.000 1.451 28 A CB -1.661 17.478 19.000 0.232 0.000 1.081 28 A HN 0.889 nan 8.150 nan 0.000 0.611 29 F N 2.642 122.403 119.950 -0.315 0.000 2.106 29 F HA -0.356 4.171 4.527 0.001 0.000 0.299 29 F C 2.437 178.315 175.800 0.131 0.000 1.082 29 F CA 2.728 60.577 58.000 -0.251 0.000 1.244 29 F CB -0.197 38.559 39.000 -0.407 0.000 0.997 29 F HN 0.525 nan 8.300 nan 0.000 0.486 30 S N -1.869 113.919 115.700 0.146 0.000 2.547 30 S HA -0.088 4.382 4.470 0.001 0.000 0.235 30 S C 1.783 176.467 174.600 0.141 0.000 0.980 30 S CA 0.969 59.232 58.200 0.105 0.000 0.941 30 S CB -0.396 62.885 63.200 0.136 0.000 0.763 30 S HN 0.349 nan 8.310 nan 0.000 0.532 31 S N -0.201 115.574 115.700 0.125 0.000 2.517 31 S HA 0.324 4.794 4.470 0.001 0.000 0.214 31 S C -0.430 174.008 174.600 -0.270 0.000 0.991 31 S CA -0.262 57.888 58.200 -0.083 0.000 0.906 31 S CB -0.009 63.077 63.200 -0.190 0.000 0.789 31 S HN 0.572 nan 8.310 nan 0.000 0.513 32 Y N 1.245 121.557 120.300 0.019 0.000 2.409 32 Y HA 0.674 5.224 4.550 0.000 0.000 0.339 32 Y C 0.400 176.261 175.900 -0.065 0.000 1.033 32 Y CA -1.419 56.675 58.100 -0.011 0.000 1.094 32 Y CB 0.776 39.257 38.460 0.034 0.000 1.210 32 Y HN 0.032 nan 8.280 nan 0.000 0.456 33 A N 3.984 126.853 122.820 0.083 0.000 2.406 33 A HA 0.608 4.928 4.320 0.001 0.000 0.243 33 A C -0.404 177.073 177.584 -0.178 0.000 1.082 33 A CA -0.186 51.815 52.037 -0.061 0.000 0.786 33 A CB 0.181 19.120 19.000 -0.101 0.000 1.029 33 A HN 0.648 nan 8.150 nan 0.000 0.495 34 M N 1.087 120.510 119.600 -0.294 0.000 2.393 34 M HA 0.373 4.854 4.480 0.001 0.000 0.299 34 M C -1.169 174.893 176.300 -0.398 0.000 1.103 34 M CA -0.292 54.831 55.300 -0.296 0.000 0.910 34 M CB 1.631 34.107 32.600 -0.207 0.000 1.659 34 M HN 0.855 nan 8.290 nan 0.000 0.445 35 H N -0.192 118.743 119.070 -0.225 0.000 2.616 35 H HA 0.571 5.127 4.556 0.000 0.000 0.353 35 H C -1.442 173.665 175.328 -0.367 0.000 1.170 35 H CA -0.107 55.844 56.048 -0.161 0.000 1.212 35 H CB 1.601 31.329 29.762 -0.058 0.000 1.653 35 H HN 0.592 nan 8.280 nan 0.000 0.537 36 W N 1.433 122.751 121.300 0.030 0.000 2.529 36 W HA 0.588 5.248 4.660 0.001 0.000 0.321 36 W C -1.052 175.420 176.519 -0.080 0.000 1.047 36 W CA -0.496 56.855 57.345 0.011 0.000 1.216 36 W CB 1.495 30.998 29.460 0.073 0.000 1.357 36 W HN 0.213 nan 8.180 nan 0.000 0.489 37 V N 3.971 124.027 119.914 0.238 0.000 2.876 37 V HA 0.642 4.763 4.120 0.001 0.000 0.312 37 V C -0.343 175.862 176.094 0.186 0.000 1.085 37 V CA -1.368 61.012 62.300 0.134 0.000 0.945 37 V CB 2.055 33.906 31.823 0.048 0.000 1.017 37 V HN 0.594 nan 8.190 nan 0.000 0.428 38 R N 2.497 122.975 120.500 -0.036 0.000 2.837 38 R HA 0.805 5.145 4.340 0.001 0.000 0.271 38 R C -1.206 174.987 176.300 -0.178 0.000 0.993 38 R CA -0.937 55.010 56.100 -0.254 0.000 0.931 38 R CB 2.408 32.228 30.300 -0.799 0.000 1.206 38 R HN 0.644 nan 8.270 nan 0.000 0.474 39 Q N 1.786 121.494 119.800 -0.154 0.000 2.337 39 Q HA 0.447 4.787 4.340 0.001 0.000 0.264 39 Q C -1.248 174.703 176.000 -0.082 0.000 1.007 39 Q CA -0.556 55.191 55.803 -0.094 0.000 0.727 39 Q CB 2.101 30.836 28.738 -0.004 0.000 1.256 39 Q HN 0.840 nan 8.270 nan 0.000 0.467 40 A N 4.864 127.642 122.820 -0.069 0.000 2.445 40 A HA 0.398 4.718 4.320 0.001 0.000 0.242 40 A C -2.226 175.357 177.584 -0.001 0.000 1.075 40 A CA -0.986 51.032 52.037 -0.031 0.000 0.777 40 A CB -0.231 18.759 19.000 -0.016 0.000 1.013 40 A HN 0.582 nan 8.150 nan 0.000 0.493 41 P HA 0.088 nan 4.420 nan 0.000 0.255 41 P C 0.972 178.289 177.300 0.029 0.000 1.161 41 P CA 2.251 65.364 63.100 0.021 0.000 0.768 41 P CB 0.052 31.765 31.700 0.022 0.000 0.746 42 G N 1.873 110.695 108.800 0.038 0.000 2.179 42 G HA2 -0.285 3.676 3.960 0.001 0.000 0.257 42 G HA3 -0.285 3.676 3.960 0.001 0.000 0.257 42 G C 0.163 175.099 174.900 0.059 0.000 1.010 42 G CA 0.947 46.075 45.100 0.048 0.000 0.736 42 G HN 0.746 nan 8.290 nan 0.000 0.513 43 K N -1.133 119.304 120.400 0.062 0.000 2.149 43 K HA 0.842 5.162 4.320 0.001 0.000 0.241 43 K C 0.821 177.491 176.600 0.116 0.000 1.083 43 K CA -0.215 56.120 56.287 0.079 0.000 0.885 43 K CB 0.313 32.843 32.500 0.051 0.000 1.374 43 K HN 0.733 nan 8.250 nan 0.000 0.511 44 G N 0.167 109.045 108.800 0.131 0.000 2.547 44 G HA2 0.451 4.411 3.960 0.001 0.000 0.291 44 G HA3 0.451 4.411 3.960 0.001 0.000 0.291 44 G C -0.776 174.064 174.900 -0.100 0.000 1.211 44 G CA -1.115 44.086 45.100 0.167 0.000 0.950 44 G HN 0.407 nan 8.290 nan 0.000 0.504 45 L N 0.116 121.112 121.223 -0.378 0.000 2.349 45 L HA 0.406 4.747 4.340 0.001 0.000 0.275 45 L C 0.519 177.184 176.870 -0.341 0.000 1.115 45 L CA -0.150 54.318 54.840 -0.620 0.000 0.820 45 L CB 1.223 42.432 42.059 -1.416 0.000 1.135 45 L HN 0.516 nan 8.230 nan 0.000 0.445 46 E N 1.864 121.952 120.200 -0.187 0.000 2.238 46 E HA 0.168 4.519 4.350 0.001 0.000 0.267 46 E C -1.724 174.963 176.600 0.145 0.000 0.887 46 E CA -0.863 55.572 56.400 0.059 0.000 0.769 46 E CB 1.682 31.396 29.700 0.022 0.000 1.187 46 E HN 0.492 nan 8.360 nan 0.000 0.416 47 W N 5.304 126.682 121.300 0.131 0.000 2.311 47 W HA 0.253 4.913 4.660 0.001 0.000 0.310 47 W C -0.359 176.219 176.519 0.100 0.000 1.274 47 W CA -0.197 57.224 57.345 0.126 0.000 1.215 47 W CB 0.917 30.420 29.460 0.072 0.000 1.227 47 W HN 0.346 nan 8.180 nan 0.000 0.523 48 V N 4.858 124.399 119.914 -0.623 0.000 2.602 48 V HA 0.474 4.594 4.120 0.001 0.000 0.235 48 V C 0.745 176.301 176.094 -0.896 0.000 1.087 48 V CA 1.020 63.033 62.300 -0.477 0.000 1.117 48 V CB -0.635 31.185 31.823 -0.005 0.000 0.820 48 V HN 0.680 nan 8.190 nan 0.000 0.490 49 A N -0.907 121.356 122.820 -0.927 0.000 2.612 49 A HA 0.746 5.066 4.320 0.001 0.000 0.293 49 A C -1.810 175.705 177.584 -0.115 0.000 1.075 49 A CA -0.277 51.427 52.037 -0.555 0.000 0.680 49 A CB 2.080 21.057 19.000 -0.039 0.000 1.279 49 A HN 0.220 nan 8.150 nan 0.000 0.411 50 V N 1.881 121.899 119.914 0.173 0.000 2.760 50 V HA 0.766 4.886 4.120 0.001 0.000 0.309 50 V C -1.217 174.926 176.094 0.083 0.000 1.077 50 V CA -0.577 61.847 62.300 0.207 0.000 0.910 50 V CB 1.620 33.726 31.823 0.472 0.000 1.008 50 V HN 0.991 nan 8.190 nan 0.000 0.424 51 I N 5.135 125.696 120.570 -0.015 0.000 2.530 51 I HA 0.628 4.799 4.170 0.001 0.000 0.297 51 I C 0.550 176.659 176.117 -0.014 0.000 1.011 51 I CA -0.209 61.091 61.300 0.000 0.000 1.107 51 I CB 2.391 40.403 38.000 0.020 0.000 1.285 51 I HN 0.870 nan 8.210 nan 0.000 0.436 52 S N 5.035 120.746 115.700 0.018 0.000 2.600 52 S HA 0.032 4.502 4.470 0.001 0.000 0.265 52 S C 1.084 175.656 174.600 -0.046 0.000 1.325 52 S CA 0.122 58.339 58.200 0.028 0.000 1.002 52 S CB 0.441 63.636 63.200 -0.009 0.000 0.921 52 S HN 0.750 nan 8.310 nan 0.000 0.554 53 Y N 0.440 120.706 120.300 -0.057 0.000 2.181 53 Y HA -0.158 4.392 4.550 0.001 0.000 0.284 53 Y C 1.538 177.396 175.900 -0.070 0.000 1.179 53 Y CA 1.600 59.644 58.100 -0.092 0.000 1.179 53 Y CB -0.746 37.663 38.460 -0.085 0.000 0.973 53 Y HN 0.701 nan 8.280 nan 0.000 0.519 54 D N -1.110 118.895 120.400 -0.658 0.000 2.369 54 D HA 0.177 4.817 4.640 0.001 0.000 0.211 54 D C 1.723 177.889 176.300 -0.224 0.000 1.077 54 D CA 0.414 54.152 54.000 -0.436 0.000 0.842 54 D CB 0.131 40.557 40.800 -0.625 0.000 0.947 54 D HN 0.577 nan 8.370 nan 0.000 0.509 55 G N 0.631 109.325 108.800 -0.177 0.000 2.159 55 G HA2 -0.355 3.605 3.960 0.001 0.000 0.256 55 G HA3 -0.355 3.605 3.960 0.001 0.000 0.256 55 G C 1.097 175.956 174.900 -0.067 0.000 0.977 55 G CA 0.859 45.916 45.100 -0.072 0.000 0.652 55 G HN 0.619 nan 8.290 nan 0.000 0.531 56 S N -0.942 114.692 115.700 -0.111 0.000 2.456 56 S HA 0.212 4.683 4.470 0.001 0.000 0.224 56 S C 0.698 175.257 174.600 -0.069 0.000 1.035 56 S CA 0.588 58.739 58.200 -0.081 0.000 0.940 56 S CB 0.360 63.503 63.200 -0.095 0.000 0.799 56 S HN 0.332 nan 8.310 nan 0.000 0.508 57 N N 2.299 120.961 118.700 -0.064 0.000 2.421 57 N HA 0.501 5.241 4.740 0.001 0.000 0.285 57 N C -1.168 174.272 175.510 -0.116 0.000 1.027 57 N CA -0.257 52.754 53.050 -0.066 0.000 0.918 57 N CB 1.353 39.910 38.487 0.116 0.000 1.152 57 N HN 0.410 nan 8.380 nan 0.000 0.485 58 K N 2.097 122.282 120.400 -0.358 0.000 2.513 58 K HA 0.440 4.761 4.320 0.001 0.000 0.251 58 K C -1.386 174.785 176.600 -0.716 0.000 0.939 58 K CA -0.624 55.451 56.287 -0.353 0.000 0.793 58 K CB 2.028 34.422 32.500 -0.177 0.000 1.241 58 K HN 0.428 nan 8.250 nan 0.000 0.431 59 Y N 0.753 120.949 120.300 -0.173 0.000 2.492 59 Y HA 0.442 4.992 4.550 0.001 0.000 0.346 59 Y C -0.969 174.893 175.900 -0.063 0.000 0.997 59 Y CA -0.860 57.287 58.100 0.079 0.000 1.025 59 Y CB 1.909 40.636 38.460 0.444 0.000 1.263 59 Y HN 0.441 nan 8.280 nan 0.000 0.454 60 Y N 0.473 121.130 120.300 0.595 0.000 2.477 60 Y HA 0.695 5.245 4.550 0.001 0.000 0.347 60 Y C 0.085 176.216 175.900 0.385 0.000 0.981 60 Y CA -1.586 56.681 58.100 0.279 0.000 1.033 60 Y CB 1.728 40.283 38.460 0.158 0.000 1.245 60 Y HN 0.732 nan 8.280 nan 0.000 0.455 61 A N 1.362 124.347 122.820 0.275 0.000 2.483 61 A HA 0.064 4.384 4.320 0.001 0.000 0.238 61 A C 0.686 178.415 177.584 0.241 0.000 1.070 61 A CA -0.068 52.163 52.037 0.323 0.000 0.770 61 A CB 0.083 19.172 19.000 0.149 0.000 1.008 61 A HN 0.930 nan 8.150 nan 0.000 0.497 62 D N 1.050 121.590 120.400 0.232 0.000 2.158 62 D HA -0.180 4.461 4.640 0.001 0.000 0.197 62 D C 2.324 178.660 176.300 0.060 0.000 0.995 62 D CA 2.263 56.357 54.000 0.157 0.000 0.846 62 D CB -0.154 40.732 40.800 0.144 0.000 0.941 62 D HN 0.684 nan 8.370 nan 0.000 0.456 63 S N -0.306 115.407 115.700 0.022 0.000 2.399 63 S HA -0.143 4.327 4.470 0.001 0.000 0.231 63 S C 1.974 176.479 174.600 -0.158 0.000 1.022 63 S CA 1.280 59.450 58.200 -0.050 0.000 0.983 63 S CB -0.463 62.707 63.200 -0.051 0.000 0.803 63 S HN 0.289 nan 8.310 nan 0.000 0.480 64 V N -2.089 117.684 119.914 -0.234 0.000 3.528 64 V HA 0.422 4.542 4.120 0.001 0.000 0.294 64 V C 0.439 176.365 176.094 -0.280 0.000 1.404 64 V CA -0.585 61.413 62.300 -0.503 0.000 1.065 64 V CB -0.708 30.506 31.823 -1.015 0.000 0.904 64 V HN 0.283 nan 8.190 nan 0.000 0.435 65 K N 1.343 121.676 120.400 -0.112 0.000 2.451 65 K HA 0.404 4.725 4.320 0.001 0.000 0.280 65 K C 1.301 177.831 176.600 -0.117 0.000 1.020 65 K CA 1.218 57.455 56.287 -0.083 0.000 1.008 65 K CB 0.224 32.766 32.500 0.070 0.000 0.917 65 K HN 0.777 nan 8.250 nan 0.000 0.478 66 G N 3.670 112.355 108.800 -0.192 0.000 2.213 66 G HA2 -0.289 3.672 3.960 0.001 0.000 0.236 66 G HA3 -0.289 3.672 3.960 0.001 0.000 0.236 66 G C 0.511 175.358 174.900 -0.089 0.000 0.991 66 G CA 0.463 45.492 45.100 -0.119 0.000 0.629 66 G HN 0.748 nan 8.290 nan 0.000 0.517 67 R N -1.593 118.872 120.500 -0.060 0.000 2.555 67 R HA 0.487 4.828 4.340 0.001 0.000 0.312 67 R C -0.230 176.210 176.300 0.233 0.000 0.938 67 R CA -0.350 55.785 56.100 0.058 0.000 1.112 67 R CB 0.366 30.724 30.300 0.097 0.000 1.535 67 R HN 0.227 nan 8.270 nan 0.000 0.525 68 F N 2.085 121.896 119.950 -0.231 0.000 2.436 68 F HA 0.496 5.023 4.527 0.000 0.000 0.340 68 F C -0.085 175.540 175.800 -0.292 0.000 1.113 68 F CA -0.918 56.961 58.000 -0.202 0.000 1.022 68 F CB 2.281 41.215 39.000 -0.111 0.000 1.128 68 F HN -0.203 nan 8.300 nan 0.000 0.466 69 T N 5.272 119.826 114.554 -0.000 0.000 2.815 69 T HA 0.461 4.812 4.350 0.001 0.000 0.289 69 T C -0.242 174.589 174.700 0.219 0.000 1.000 69 T CA -0.406 61.753 62.100 0.099 0.000 0.958 69 T CB 1.135 70.014 68.868 0.018 0.000 0.944 69 T HN 0.481 nan 8.240 nan 0.000 0.442 70 I N 3.670 124.505 120.570 0.442 0.000 2.472 70 I HA 0.620 4.790 4.170 0.001 0.000 0.290 70 I C 0.032 176.305 176.117 0.261 0.000 1.016 70 I CA 0.156 61.652 61.300 0.325 0.000 1.348 70 I CB 0.702 38.886 38.000 0.308 0.000 1.417 70 I HN 0.816 nan 8.210 nan 0.000 0.521 71 S N 6.915 122.790 115.700 0.291 0.000 2.615 71 S HA 0.714 5.185 4.470 0.001 0.000 0.269 71 S C -1.057 173.754 174.600 0.352 0.000 1.161 71 S CA -1.076 57.286 58.200 0.270 0.000 0.817 71 S CB 2.087 65.423 63.200 0.227 0.000 1.131 71 S HN 0.890 nan 8.310 nan 0.000 0.467 72 R N 0.120 120.804 120.500 0.306 0.000 2.707 72 R HA 0.683 5.023 4.340 0.001 0.000 0.272 72 R C -2.276 174.209 176.300 0.307 0.000 1.011 72 R CA -0.687 55.599 56.100 0.309 0.000 0.893 72 R CB 1.622 32.076 30.300 0.257 0.000 1.233 72 R HN 0.584 nan 8.270 nan 0.000 0.464 73 D N 1.232 121.811 120.400 0.297 0.000 2.453 73 D HA 0.235 4.876 4.640 0.001 0.000 0.238 73 D C -0.345 176.060 176.300 0.175 0.000 1.088 73 D CA -0.525 53.613 54.000 0.231 0.000 0.854 73 D CB 1.342 42.307 40.800 0.275 0.000 1.076 73 D HN 0.520 nan 8.370 nan 0.000 0.533 74 N N 1.108 119.919 118.700 0.184 0.000 2.457 74 N HA -0.102 4.638 4.740 0.001 0.000 0.180 74 N C 1.604 177.180 175.510 0.110 0.000 1.050 74 N CA 0.471 53.650 53.050 0.214 0.000 0.906 74 N CB 0.340 38.930 38.487 0.172 0.000 0.968 74 N HN 0.448 nan 8.380 nan 0.000 0.445 75 S N 0.456 116.194 115.700 0.063 0.000 2.395 75 S HA 0.053 4.523 4.470 0.001 0.000 0.225 75 S C 1.578 176.167 174.600 -0.018 0.000 1.027 75 S CA 0.585 58.800 58.200 0.024 0.000 0.965 75 S CB -0.063 63.152 63.200 0.026 0.000 0.812 75 S HN 0.175 nan 8.310 nan 0.000 0.482 76 K N 1.026 121.410 120.400 -0.028 0.000 2.459 76 K HA 0.174 4.494 4.320 0.001 0.000 0.193 76 K C -0.315 176.147 176.600 -0.230 0.000 1.030 76 K CA 0.142 56.379 56.287 -0.084 0.000 1.026 76 K CB -0.196 32.288 32.500 -0.027 0.000 0.809 76 K HN 0.203 nan 8.250 nan 0.000 0.504 77 N N 1.593 120.101 118.700 -0.320 0.000 2.738 77 N HA -0.122 4.619 4.740 0.001 0.000 0.249 77 N C -1.240 173.561 175.510 -1.182 0.000 1.047 77 N CA 1.137 53.675 53.050 -0.854 0.000 0.707 77 N CB -1.408 36.679 38.487 -0.666 0.000 0.937 77 N HN 0.121 nan 8.380 nan 0.000 0.545 78 T N 0.407 114.504 114.554 -0.761 0.000 2.861 78 T HA 0.627 4.977 4.350 0.001 0.000 0.287 78 T C -0.125 174.323 174.700 -0.420 0.000 1.003 78 T CA -0.596 61.132 62.100 -0.620 0.000 0.977 78 T CB 2.406 70.958 68.868 -0.527 0.000 0.996 78 T HN 0.189 nan 8.240 nan 0.000 0.448 79 L N 3.280 124.315 121.223 -0.314 0.000 2.334 79 L HA 0.757 5.097 4.340 0.001 0.000 0.276 79 L C -1.767 174.994 176.870 -0.182 0.000 1.014 79 L CA -0.450 54.367 54.840 -0.039 0.000 0.815 79 L CB 0.940 43.096 42.059 0.161 0.000 1.268 79 L HN 0.624 nan 8.230 nan 0.000 0.428 80 Y N 4.044 124.571 120.300 0.378 0.000 2.570 80 Y HA 0.717 5.267 4.550 0.001 0.000 0.345 80 Y C -1.021 175.006 175.900 0.213 0.000 1.014 80 Y CA -0.942 57.324 58.100 0.276 0.000 1.063 80 Y CB 1.908 40.430 38.460 0.104 0.000 1.272 80 Y HN 0.460 nan 8.280 nan 0.000 0.477 81 L N 2.337 123.537 121.223 -0.038 0.000 2.404 81 L HA 0.483 4.823 4.340 0.001 0.000 0.272 81 L C -1.114 175.520 176.870 -0.393 0.000 0.980 81 L CA -0.750 53.841 54.840 -0.416 0.000 0.836 81 L CB 1.647 42.964 42.059 -1.236 0.000 1.238 81 L HN 0.659 nan 8.230 nan 0.000 0.408 82 Q N 4.968 124.603 119.800 -0.275 0.000 2.337 82 Q HA 0.483 4.824 4.340 0.001 0.000 0.255 82 Q C -1.214 174.488 176.000 -0.496 0.000 0.997 82 Q CA 0.427 56.043 55.803 -0.312 0.000 0.925 82 Q CB 0.802 29.429 28.738 -0.185 0.000 1.212 82 Q HN 0.642 nan 8.270 nan 0.000 0.436 83 M N 4.357 123.549 119.600 -0.682 0.000 2.103 83 M HA 0.390 4.870 4.480 0.001 0.000 0.350 83 M C -0.685 175.322 176.300 -0.488 0.000 1.100 83 M CA -0.467 54.206 55.300 -1.045 0.000 1.042 83 M CB 0.668 32.482 32.600 -1.311 0.000 1.368 83 M HN 0.435 nan 8.290 nan 0.000 0.404 84 N N 0.951 119.495 118.700 -0.260 0.000 2.489 84 N HA 0.191 4.932 4.740 0.001 0.000 0.284 84 N C 0.206 175.712 175.510 -0.007 0.000 1.158 84 N CA -0.106 52.878 53.050 -0.110 0.000 0.965 84 N CB 1.745 40.185 38.487 -0.078 0.000 1.195 84 N HN 0.678 nan 8.380 nan 0.000 0.506 85 S N 0.321 116.012 115.700 -0.014 0.000 3.628 85 S HA -0.179 4.291 4.470 0.001 0.000 0.373 85 S C -0.103 174.528 174.600 0.053 0.000 0.968 85 S CA -0.099 58.110 58.200 0.015 0.000 1.215 85 S CB -1.607 61.604 63.200 0.019 0.000 0.912 85 S HN 0.413 nan 8.310 nan 0.000 0.495 86 L N 1.717 122.965 121.223 0.041 0.000 2.453 86 L HA 0.382 4.723 4.340 0.001 0.000 0.272 86 L C 1.011 177.919 176.870 0.062 0.000 1.182 86 L CA -0.002 54.886 54.840 0.081 0.000 0.858 86 L CB 0.424 42.502 42.059 0.032 0.000 1.120 86 L HN 0.378 nan 8.230 nan 0.000 0.474 87 R N 1.324 121.871 120.500 0.079 0.000 2.875 87 R HA 0.492 4.832 4.340 0.001 0.000 0.251 87 R C 0.802 177.135 176.300 0.055 0.000 1.123 87 R CA -0.014 56.117 56.100 0.051 0.000 1.064 87 R CB 0.860 31.182 30.300 0.038 0.000 1.205 87 R HN 0.642 nan 8.270 nan 0.000 0.503 88 A N 0.950 123.793 122.820 0.039 0.000 1.978 88 A HA -0.240 4.080 4.320 0.001 0.000 0.220 88 A C 1.677 179.287 177.584 0.043 0.000 1.170 88 A CA 2.125 54.185 52.037 0.038 0.000 0.636 88 A CB -0.730 18.286 19.000 0.026 0.000 0.810 88 A HN 0.863 nan 8.150 nan 0.000 0.448 89 E N 0.228 120.450 120.200 0.037 0.000 2.333 89 E HA -0.181 4.170 4.350 0.001 0.000 0.198 89 E C 0.683 177.312 176.600 0.048 0.000 1.007 89 E CA 1.471 57.889 56.400 0.031 0.000 0.845 89 E CB -0.317 29.391 29.700 0.013 0.000 0.766 89 E HN 0.541 nan 8.360 nan 0.000 0.507 90 D N 0.534 120.991 120.400 0.095 0.000 2.355 90 D HA -0.015 4.625 4.640 0.001 0.000 0.218 90 D C -0.091 176.347 176.300 0.230 0.000 1.004 90 D CA 0.492 54.610 54.000 0.196 0.000 0.880 90 D CB -0.031 40.954 40.800 0.308 0.000 0.911 90 D HN 0.104 nan 8.370 nan 0.000 0.528 91 T N 1.590 116.224 114.554 0.134 0.000 2.793 91 T HA 0.387 4.737 4.350 0.001 0.000 0.289 91 T C 0.164 174.915 174.700 0.085 0.000 0.956 91 T CA 0.100 62.271 62.100 0.119 0.000 1.177 91 T CB 0.588 69.497 68.868 0.067 0.000 0.897 91 T HN 0.129 nan 8.240 nan 0.000 0.533 92 A N 3.349 126.239 122.820 0.116 0.000 2.597 92 A HA 0.598 4.919 4.320 0.001 0.000 0.292 92 A C -0.870 176.722 177.584 0.013 0.000 1.057 92 A CA -0.772 51.242 52.037 -0.039 0.000 0.674 92 A CB 0.975 19.771 19.000 -0.339 0.000 1.278 92 A HN 0.548 nan 8.150 nan 0.000 0.416 93 V N 1.736 121.600 119.914 -0.083 0.000 2.488 93 V HA 0.328 4.449 4.120 0.001 0.000 0.277 93 V C -0.825 175.106 176.094 -0.271 0.000 1.046 93 V CA 0.322 62.542 62.300 -0.133 0.000 0.986 93 V CB 0.207 31.911 31.823 -0.198 0.000 0.989 93 V HN 0.660 nan 8.190 nan 0.000 0.475 94 Y N 4.420 124.589 120.300 -0.218 0.000 2.361 94 Y HA 0.609 5.159 4.550 0.001 0.000 0.332 94 Y C -0.379 175.460 175.900 -0.103 0.000 1.101 94 Y CA -0.588 57.487 58.100 -0.041 0.000 1.137 94 Y CB 1.434 39.913 38.460 0.032 0.000 1.207 94 Y HN 0.517 nan 8.280 nan 0.000 0.463 95 Y N 1.326 121.919 120.300 0.488 0.000 2.391 95 Y HA 0.464 5.014 4.550 0.001 0.000 0.341 95 Y C -0.119 175.815 175.900 0.056 0.000 0.965 95 Y CA -1.538 56.751 58.100 0.315 0.000 1.067 95 Y CB 1.293 39.956 38.460 0.338 0.000 1.199 95 Y HN 0.746 nan 8.280 nan 0.000 0.450 96 c N 1.088 119.561 118.600 -0.211 0.000 2.405 96 c HA 0.991 5.562 4.570 0.001 0.000 0.365 96 c C 0.137 173.976 174.090 -0.419 0.000 1.233 96 c CA -0.611 55.253 56.329 -0.776 0.000 2.230 96 c CB -0.035 41.855 42.510 -1.034 0.000 2.443 96 c HN 1.012 nan 8.230 nan 0.000 0.556 97 A N 3.067 125.584 122.820 -0.505 0.000 2.488 97 A HA 0.722 5.042 4.320 0.001 0.000 0.298 97 A C -0.447 176.963 177.584 -0.291 0.000 1.044 97 A CA -0.608 51.087 52.037 -0.569 0.000 0.693 97 A CB 0.879 19.175 19.000 -1.174 0.000 1.272 97 A HN 1.026 nan 8.150 nan 0.000 0.402 98 R N 1.205 121.583 120.500 -0.203 0.000 2.491 98 R HA 0.197 4.537 4.340 0.001 0.000 0.283 98 R C -0.538 175.745 176.300 -0.027 0.000 1.072 98 R CA -0.074 55.942 56.100 -0.140 0.000 1.048 98 R CB 0.399 30.509 30.300 -0.317 0.000 0.983 98 R HN 0.826 nan 8.270 nan 0.000 0.450 99 D N 1.848 122.289 120.400 0.067 0.000 2.390 99 D HA -0.010 4.630 4.640 0.001 0.000 0.249 99 D C -0.424 175.973 176.300 0.162 0.000 1.144 99 D CA 0.115 54.222 54.000 0.178 0.000 0.880 99 D CB 0.668 41.528 40.800 0.101 0.000 1.182 99 D HN 0.362 nan 8.370 nan 0.000 0.451 100 R N 2.670 123.246 120.500 0.126 0.000 2.724 100 R HA 0.156 4.496 4.340 0.001 0.000 0.284 100 R C -0.377 175.971 176.300 0.079 0.000 1.481 100 R CA -0.179 55.969 56.100 0.081 0.000 1.652 100 R CB -0.299 29.977 30.300 -0.039 0.000 1.175 100 R HN 0.664 nan 8.270 nan 0.000 0.613 101 S N 1.770 117.540 115.700 0.116 0.000 3.336 101 S HA -0.268 4.202 4.470 0.001 0.000 0.362 101 S C -0.066 174.643 174.600 0.182 0.000 0.941 101 S CA 1.198 59.501 58.200 0.172 0.000 1.297 101 S CB -1.478 61.755 63.200 0.055 0.000 0.915 101 S HN 0.828 nan 8.310 nan 0.000 0.527 102 Y N -4.308 115.964 120.300 -0.045 0.000 4.841 102 Y HA -0.276 4.274 4.550 0.000 0.000 0.242 102 Y C 0.477 176.185 175.900 -0.319 0.000 1.002 102 Y CA 1.030 59.007 58.100 -0.206 0.000 2.011 102 Y CB -2.785 35.536 38.460 -0.233 0.000 1.554 102 Y HN 0.833 nan 8.280 nan 0.000 0.618 103 Y N -0.129 120.196 120.300 0.042 0.000 2.432 103 Y HA 0.653 5.203 4.550 0.000 0.000 0.322 103 Y C 0.589 176.541 175.900 0.088 0.000 1.246 103 Y CA -1.398 56.768 58.100 0.110 0.000 1.268 103 Y CB 0.957 39.519 38.460 0.170 0.000 1.276 103 Y HN -0.207 nan 8.280 nan 0.000 0.499 104 L N 2.085 123.590 121.223 0.469 0.000 2.353 104 L HA 0.264 4.604 4.340 0.001 0.000 0.270 104 L C -0.385 176.748 176.870 0.438 0.000 1.003 104 L CA -0.552 54.408 54.840 0.201 0.000 0.862 104 L CB 1.127 43.077 42.059 -0.183 0.000 1.221 104 L HN 0.735 nan 8.230 nan 0.000 0.430 105 D N 0.683 121.209 120.400 0.211 0.000 2.346 105 D HA -0.017 4.623 4.640 0.001 0.000 0.206 105 D C -0.230 175.956 176.300 -0.190 0.000 1.001 105 D CA 0.572 54.651 54.000 0.131 0.000 0.871 105 D CB 0.234 41.038 40.800 0.006 0.000 0.943 105 D HN 0.218 nan 8.370 nan 0.000 0.518 106 Y N -1.201 119.168 120.300 0.115 0.000 2.479 106 Y HA 0.436 4.987 4.550 0.000 0.000 0.338 106 Y C -1.317 174.622 175.900 0.065 0.000 1.055 106 Y CA -1.200 56.965 58.100 0.108 0.000 1.023 106 Y CB 1.522 39.914 38.460 -0.113 0.000 1.287 106 Y HN -0.234 nan 8.280 nan 0.000 0.447 107 W N 1.399 122.769 121.300 0.116 0.000 2.819 107 W HA 0.693 5.353 4.660 0.000 0.000 0.337 107 W C 0.348 176.927 176.519 0.100 0.000 1.077 107 W CA -1.205 56.172 57.345 0.054 0.000 1.226 107 W CB 1.758 31.189 29.460 -0.048 0.000 1.419 107 W HN 0.714 nan 8.180 nan 0.000 0.502 108 G N 1.626 110.613 108.800 0.311 0.000 2.651 108 G HA2 0.167 4.128 3.960 0.001 0.000 0.260 108 G HA3 0.167 4.128 3.960 0.001 0.000 0.260 108 G C 0.811 175.925 174.900 0.356 0.000 1.216 108 G CA -0.329 44.925 45.100 0.258 0.000 0.913 108 G HN 0.560 nan 8.290 nan 0.000 0.535 109 Q N -0.073 119.873 119.800 0.243 0.000 2.364 109 Q HA 0.172 4.512 4.340 0.001 0.000 0.207 109 Q C 0.880 177.021 176.000 0.235 0.000 0.970 109 Q CA 1.173 57.111 55.803 0.225 0.000 0.888 109 Q CB -0.403 28.415 28.738 0.134 0.000 0.951 109 Q HN 1.864 nan 8.270 nan 0.000 0.469 110 G N 0.914 109.796 108.800 0.136 0.000 2.788 110 G HA2 -0.104 3.856 3.960 0.001 0.000 0.686 110 G HA3 -0.104 3.856 3.960 0.001 0.000 0.686 110 G C -0.497 174.349 174.900 -0.089 0.000 1.147 110 G CA -0.261 44.693 45.100 -0.243 0.000 0.755 110 G HN 0.638 nan 8.290 nan 0.000 0.634 111 T N -0.541 113.967 114.554 -0.078 0.000 2.879 111 T HA 0.629 4.980 4.350 0.001 0.000 0.290 111 T C -0.139 174.566 174.700 0.008 0.000 0.993 111 T CA -0.762 61.334 62.100 -0.006 0.000 0.975 111 T CB 1.948 70.835 68.868 0.033 0.000 0.981 111 T HN 1.729 nan 8.240 nan 0.000 0.439 112 L N 3.805 125.030 121.223 0.004 0.000 2.410 112 L HA 0.618 4.959 4.340 0.001 0.000 0.273 112 L C -0.731 176.165 176.870 0.044 0.000 1.152 112 L CA -0.044 54.815 54.840 0.032 0.000 0.855 112 L CB 0.741 42.809 42.059 0.016 0.000 1.129 112 L HN 0.669 nan 8.230 nan 0.000 0.463 113 V N 4.607 124.581 119.914 0.100 0.000 2.376 113 V HA 0.398 4.518 4.120 0.001 0.000 0.287 113 V C -0.206 175.932 176.094 0.074 0.000 1.015 113 V CA -0.476 61.856 62.300 0.053 0.000 0.834 113 V CB 1.658 33.486 31.823 0.008 0.000 1.001 113 V HN 0.872 nan 8.190 nan 0.000 0.428 114 T N 4.707 119.279 114.554 0.030 0.000 2.770 114 T HA 0.377 4.728 4.350 0.001 0.000 0.297 114 T C -0.058 174.655 174.700 0.021 0.000 0.997 114 T CA -0.285 61.834 62.100 0.032 0.000 0.949 114 T CB 1.221 70.101 68.868 0.019 0.000 0.941 114 T HN 0.293 nan 8.240 nan 0.000 0.457 115 V N 3.737 123.671 119.914 0.035 0.000 2.192 115 V HA 0.410 4.530 4.120 0.001 0.000 0.264 115 V C 0.101 176.209 176.094 0.024 0.000 1.155 115 V CA -0.384 61.932 62.300 0.026 0.000 1.005 115 V CB 0.021 31.870 31.823 0.043 0.000 1.201 115 V HN 0.900 nan 8.190 nan 0.000 0.468 116 S N 1.534 117.243 115.700 0.015 0.000 2.737 116 S HA 0.489 4.959 4.470 0.001 0.000 0.269 116 S C 0.385 174.989 174.600 0.008 0.000 1.150 116 S CA -0.153 58.055 58.200 0.014 0.000 1.077 116 S CB 1.800 65.009 63.200 0.016 0.000 1.075 116 S HN 0.637 nan 8.310 nan 0.000 0.476 117 S N 2.267 117.971 115.700 0.007 0.000 2.364 117 S HA 0.211 4.681 4.470 0.001 0.000 0.274 117 S C 1.537 176.140 174.600 0.005 0.000 1.016 117 S CA 0.712 58.914 58.200 0.004 0.000 1.332 117 S CB -0.683 62.517 63.200 0.001 0.000 1.056 117 S HN 0.701 nan 8.310 nan 0.000 0.525 118 G N 1.189 109.992 108.800 0.005 0.000 2.705 118 G HA2 0.394 4.355 3.960 0.001 0.000 0.214 118 G HA3 0.394 4.355 3.960 0.001 0.000 0.214 118 G C 1.077 175.982 174.900 0.007 0.000 1.321 118 G CA 0.795 45.899 45.100 0.006 0.000 0.826 118 G HN 1.642 nan 8.290 nan 0.000 0.595 133 E N 2.155 122.377 120.200 0.037 0.000 2.415 133 E HA 0.160 4.511 4.350 0.001 0.000 0.262 133 E C -0.306 176.300 176.600 0.010 0.000 1.038 133 E CA 0.374 56.785 56.400 0.019 0.000 0.921 133 E CB 0.386 30.098 29.700 0.019 0.000 0.950 133 E HN 0.036 nan 8.360 nan 0.000 0.438 134 T N 2.713 117.261 114.554 -0.010 0.000 2.779 134 T HA 0.106 4.456 4.350 0.001 0.000 0.296 134 T C -0.093 174.601 174.700 -0.010 0.000 0.938 134 T CA -0.123 61.970 62.100 -0.011 0.000 1.119 134 T CB 0.590 69.440 68.868 -0.029 0.000 0.891 134 T HN 0.277 nan 8.240 nan 0.000 0.526 135 T N 4.828 119.386 114.554 0.008 0.000 2.806 135 T HA 0.437 4.788 4.350 0.001 0.000 0.290 135 T C 0.058 174.766 174.700 0.013 0.000 0.966 135 T CA -0.512 61.599 62.100 0.017 0.000 1.060 135 T CB 0.336 69.221 68.868 0.029 0.000 0.927 135 T HN 0.352 nan 8.240 nan 0.000 0.485 136 L N 3.845 125.074 121.223 0.010 0.000 2.295 136 L HA 0.350 4.690 4.340 0.001 0.000 0.281 136 L C 0.239 177.123 176.870 0.023 0.000 1.018 136 L CA -0.612 54.225 54.840 -0.005 0.000 0.841 136 L CB 1.101 43.124 42.059 -0.061 0.000 1.218 136 L HN 0.608 nan 8.230 nan 0.000 0.424 137 T N 2.845 117.422 114.554 0.038 0.000 2.762 137 T HA 0.285 4.635 4.350 0.001 0.000 0.303 137 T C -0.075 174.662 174.700 0.061 0.000 0.977 137 T CA -0.488 61.642 62.100 0.049 0.000 0.961 137 T CB 0.658 69.556 68.868 0.051 0.000 0.944 137 T HN 0.451 nan 8.240 nan 0.000 0.481 138 Q N 2.216 122.051 119.800 0.059 0.000 2.243 138 Q HA 0.584 4.924 4.340 0.001 0.000 0.252 138 Q C -0.120 175.928 176.000 0.080 0.000 0.909 138 Q CA -0.647 55.207 55.803 0.085 0.000 0.922 138 Q CB 1.334 30.116 28.738 0.072 0.000 1.215 138 Q HN 0.778 nan 8.270 nan 0.000 0.427 139 S N 1.332 117.089 115.700 0.096 0.000 2.536 139 S HA 0.672 5.142 4.470 0.001 0.000 0.271 139 S C -2.791 171.848 174.600 0.064 0.000 1.134 139 S CA -1.440 56.801 58.200 0.069 0.000 0.897 139 S CB 2.062 65.296 63.200 0.057 0.000 1.094 139 S HN 0.328 nan 8.310 nan 0.000 0.473 140 P HA 0.377 nan 4.420 nan 0.000 0.277 140 P C 0.867 178.191 177.300 0.040 0.000 1.271 140 P CA -0.428 62.694 63.100 0.036 0.000 0.795 140 P CB 0.633 32.349 31.700 0.026 0.000 1.101 141 A N 0.935 123.775 122.820 0.033 0.000 1.902 141 A HA 0.005 4.325 4.320 0.001 0.000 0.217 141 A C 1.182 178.785 177.584 0.031 0.000 1.181 141 A CA 2.089 54.143 52.037 0.028 0.000 0.623 141 A CB -1.399 17.616 19.000 0.026 0.000 0.818 141 A HN 0.748 nan 8.150 nan 0.000 0.443 142 T N -4.000 110.574 114.554 0.034 0.000 2.916 142 T HA 0.624 4.974 4.350 0.001 0.000 0.292 142 T C -1.133 173.591 174.700 0.041 0.000 1.055 142 T CA -0.717 61.409 62.100 0.043 0.000 1.009 142 T CB 1.720 70.612 68.868 0.040 0.000 1.118 142 T HN 0.397 nan 8.240 nan 0.000 0.497 143 L N 1.593 122.848 121.223 0.054 0.000 2.491 143 L HA 0.604 4.945 4.340 0.001 0.000 0.267 143 L C -0.833 176.081 176.870 0.073 0.000 0.971 143 L CA -0.347 54.520 54.840 0.046 0.000 0.857 143 L CB 2.080 44.155 42.059 0.026 0.000 1.226 143 L HN 0.887 nan 8.230 nan 0.000 0.408 144 S N 6.119 121.851 115.700 0.054 0.000 2.423 144 S HA 0.794 5.265 4.470 0.001 0.000 0.317 144 S C -0.373 174.264 174.600 0.062 0.000 1.065 144 S CA -0.391 57.842 58.200 0.055 0.000 1.111 144 S CB 0.321 63.533 63.200 0.021 0.000 0.968 144 S HN 0.482 nan 8.310 nan 0.000 0.474 145 L N 1.426 122.724 121.223 0.126 0.000 2.303 145 L HA 0.645 4.985 4.340 0.001 0.000 0.256 145 L C -0.063 176.910 176.870 0.171 0.000 1.034 145 L CA -0.822 54.102 54.840 0.140 0.000 0.832 145 L CB 2.129 44.276 42.059 0.148 0.000 1.403 145 L HN 0.402 nan 8.230 nan 0.000 0.419 146 S N -0.220 115.565 115.700 0.142 0.000 2.638 146 S HA 0.548 5.018 4.470 0.001 0.000 0.298 146 S C -2.592 172.154 174.600 0.243 0.000 1.111 146 S CA -1.249 57.030 58.200 0.132 0.000 1.027 146 S CB 1.599 64.827 63.200 0.047 0.000 1.064 146 S HN 0.302 nan 8.310 nan 0.000 0.525 147 P HA 0.171 nan 4.420 nan 0.000 0.265 147 P C 0.928 178.268 177.300 0.068 0.000 1.187 147 P CA 1.212 64.429 63.100 0.195 0.000 0.766 147 P CB 0.136 31.936 31.700 0.166 0.000 0.820 148 G N 0.951 109.755 108.800 0.007 0.000 2.199 148 G HA2 -0.225 3.735 3.960 0.001 0.000 0.254 148 G HA3 -0.225 3.735 3.960 0.001 0.000 0.254 148 G C 0.137 175.010 174.900 -0.045 0.000 0.982 148 G CA -0.162 44.921 45.100 -0.027 0.000 0.632 148 G HN 0.551 nan 8.290 nan 0.000 0.529 149 E N -0.388 119.791 120.200 -0.036 0.000 2.267 149 E HA 0.579 4.929 4.350 0.001 0.000 0.258 149 E C 0.276 176.816 176.600 -0.100 0.000 1.074 149 E CA -0.941 55.430 56.400 -0.048 0.000 0.915 149 E CB 1.082 30.776 29.700 -0.011 0.000 1.186 149 E HN 0.244 nan 8.360 nan 0.000 0.439 150 R N 0.538 120.977 120.500 -0.103 0.000 2.295 150 R HA 0.465 4.805 4.340 0.001 0.000 0.324 150 R C -1.321 174.890 176.300 -0.148 0.000 0.968 150 R CA -0.311 55.702 56.100 -0.146 0.000 0.837 150 R CB 1.029 31.253 30.300 -0.127 0.000 1.133 150 R HN 0.494 nan 8.270 nan 0.000 0.450 151 A N 3.357 126.051 122.820 -0.210 0.000 2.289 151 A HA 0.403 4.723 4.320 0.001 0.000 0.298 151 A C -0.670 176.777 177.584 -0.228 0.000 1.208 151 A CA -0.344 51.567 52.037 -0.209 0.000 0.845 151 A CB 1.135 19.970 19.000 -0.274 0.000 1.125 151 A HN 0.716 nan 8.150 nan 0.000 0.517 152 T N 3.903 118.355 114.554 -0.170 0.000 2.864 152 T HA 0.507 4.857 4.350 0.001 0.000 0.310 152 T C -0.639 173.983 174.700 -0.131 0.000 1.040 152 T CA -0.127 61.876 62.100 -0.163 0.000 0.977 152 T CB 0.211 69.013 68.868 -0.110 0.000 0.976 152 T HN 0.375 nan 8.240 nan 0.000 0.459 153 L N 2.418 123.532 121.223 -0.182 0.000 2.325 153 L HA 0.676 5.017 4.340 0.001 0.000 0.278 153 L C 0.479 177.373 176.870 0.039 0.000 1.023 153 L CA -0.199 54.588 54.840 -0.088 0.000 0.811 153 L CB 1.835 43.790 42.059 -0.173 0.000 1.249 153 L HN 0.518 nan 8.230 nan 0.000 0.431 154 S N 0.285 116.088 115.700 0.172 0.000 2.568 154 S HA 0.680 5.151 4.470 0.001 0.000 0.302 154 S C -1.234 173.571 174.600 0.342 0.000 1.082 154 S CA -0.604 57.745 58.200 0.249 0.000 1.009 154 S CB 1.850 65.132 63.200 0.137 0.000 1.069 154 S HN 0.716 nan 8.310 nan 0.000 0.500 155 c N 3.249 122.057 118.600 0.346 0.000 2.892 155 c HA 0.670 5.240 4.570 0.001 0.000 0.360 155 c C -0.869 173.369 174.090 0.247 0.000 1.054 155 c CA -0.579 55.881 56.329 0.218 0.000 1.326 155 c CB -0.130 42.395 42.510 0.025 0.000 1.806 155 c HN 0.949 nan 8.230 nan 0.000 0.490 156 R N 4.243 124.841 120.500 0.164 0.000 2.294 156 R HA 0.778 5.118 4.340 0.001 0.000 0.319 156 R C -0.131 176.244 176.300 0.125 0.000 0.984 156 R CA 0.221 56.415 56.100 0.157 0.000 0.861 156 R CB 1.166 31.526 30.300 0.099 0.000 1.104 156 R HN 0.913 nan 8.270 nan 0.000 0.451 157 A N 2.775 125.691 122.820 0.160 0.000 2.303 157 A HA 0.360 4.680 4.320 0.001 0.000 0.317 157 A C 0.930 178.560 177.584 0.077 0.000 1.149 157 A CA -0.054 52.044 52.037 0.102 0.000 0.822 157 A CB 0.916 19.994 19.000 0.130 0.000 1.131 157 A HN 1.016 nan 8.150 nan 0.000 0.493 158 S N 1.446 117.175 115.700 0.049 0.000 2.387 158 S HA -0.053 4.417 4.470 0.001 0.000 0.226 158 S C 0.688 175.311 174.600 0.039 0.000 1.026 158 S CA 1.038 59.262 58.200 0.040 0.000 0.972 158 S CB -0.281 62.937 63.200 0.030 0.000 0.814 158 S HN 0.770 nan 8.310 nan 0.000 0.477 159 Q N 0.579 120.402 119.800 0.039 0.000 2.378 159 Q HA 0.570 4.910 4.340 0.001 0.000 0.276 159 Q C -0.887 175.147 176.000 0.057 0.000 1.083 159 Q CA -0.724 55.102 55.803 0.038 0.000 0.856 159 Q CB 1.684 30.438 28.738 0.027 0.000 1.383 159 Q HN 0.242 nan 8.270 nan 0.000 0.458 160 S N 0.061 115.793 115.700 0.053 0.000 2.533 160 S HA 0.095 4.565 4.470 0.001 0.000 0.282 160 S C 0.531 175.177 174.600 0.077 0.000 1.304 160 S CA -0.369 57.876 58.200 0.075 0.000 1.063 160 S CB 0.261 63.491 63.200 0.050 0.000 0.881 160 S HN 0.507 nan 8.310 nan 0.000 0.493 161 V N 3.389 123.382 119.914 0.130 0.000 3.319 161 V HA 0.439 4.559 4.120 0.001 0.000 0.317 161 V C 0.853 177.023 176.094 0.127 0.000 1.411 161 V CA -0.163 62.190 62.300 0.089 0.000 1.112 161 V CB -1.345 30.495 31.823 0.029 0.000 1.031 161 V HN 1.044 nan 8.190 nan 0.000 0.448 162 R N 1.860 122.450 120.500 0.149 0.000 3.793 162 R HA -0.283 4.058 4.340 0.001 0.000 0.464 162 R C 1.545 178.008 176.300 0.271 0.000 0.241 162 R CA 2.493 58.683 56.100 0.150 0.000 1.464 162 R CB -2.052 28.300 30.300 0.087 0.000 0.954 162 R HN 0.801 nan 8.270 nan 0.000 0.583 163 S N 1.059 116.888 115.700 0.215 0.000 2.597 163 S HA 0.146 4.617 4.470 0.001 0.000 0.224 163 S C 0.404 175.135 174.600 0.218 0.000 0.955 163 S CA -0.299 58.066 58.200 0.275 0.000 0.933 163 S CB 0.038 63.351 63.200 0.188 0.000 0.788 163 S HN 0.348 nan 8.310 nan 0.000 0.488 164 N N 2.075 120.866 118.700 0.151 0.000 3.111 164 N HA 0.249 4.989 4.740 0.001 0.000 0.302 164 N C -0.933 174.623 175.510 0.077 0.000 1.317 164 N CA 0.066 53.197 53.050 0.136 0.000 1.151 164 N CB 0.236 38.736 38.487 0.022 0.000 1.456 164 N HN 0.402 nan 8.380 nan 0.000 0.547 165 L N 0.452 121.659 121.223 -0.028 0.000 2.346 165 L HA 0.692 5.032 4.340 0.001 0.000 0.274 165 L C -0.620 176.103 176.870 -0.245 0.000 1.007 165 L CA -0.613 54.049 54.840 -0.296 0.000 0.818 165 L CB 1.735 43.278 42.059 -0.859 0.000 1.284 165 L HN 0.096 nan 8.230 nan 0.000 0.424 166 A N 2.985 125.601 122.820 -0.340 0.000 2.423 166 A HA 0.803 5.123 4.320 0.001 0.000 0.304 166 A C -2.047 175.202 177.584 -0.558 0.000 1.104 166 A CA -0.482 51.256 52.037 -0.500 0.000 0.757 166 A CB 0.838 19.484 19.000 -0.590 0.000 1.313 166 A HN 0.687 nan 8.150 nan 0.000 0.423 167 W N -0.348 120.616 121.300 -0.560 0.000 2.689 167 W HA 0.697 5.357 4.660 0.000 0.000 0.340 167 W C -1.145 174.994 176.519 -0.634 0.000 1.060 167 W CA 0.085 57.215 57.345 -0.357 0.000 1.218 167 W CB 1.531 30.881 29.460 -0.183 0.000 1.410 167 W HN 0.610 nan 8.180 nan 0.000 0.528 168 Y N 0.681 121.112 120.300 0.218 0.000 2.545 168 Y HA 0.364 4.914 4.550 0.001 0.000 0.348 168 Y C -0.200 175.684 175.900 -0.026 0.000 1.002 168 Y CA -1.390 56.720 58.100 0.017 0.000 1.039 168 Y CB 2.190 40.615 38.460 -0.059 0.000 1.271 168 Y HN 0.267 nan 8.280 nan 0.000 0.467 169 Q N 2.652 122.397 119.800 -0.090 0.000 2.333 169 Q HA 0.330 4.670 4.340 0.001 0.000 0.265 169 Q C -1.447 174.367 176.000 -0.310 0.000 0.989 169 Q CA -0.764 54.809 55.803 -0.383 0.000 0.842 169 Q CB 1.592 30.087 28.738 -0.405 0.000 1.262 169 Q HN 0.777 nan 8.270 nan 0.000 0.451 170 Q N 3.887 123.517 119.800 -0.284 0.000 2.341 170 Q HA 0.297 4.637 4.340 0.001 0.000 0.268 170 Q C -1.081 174.832 176.000 -0.145 0.000 1.013 170 Q CA -0.790 54.893 55.803 -0.200 0.000 0.798 170 Q CB 1.108 29.784 28.738 -0.104 0.000 1.253 170 Q HN 0.410 nan 8.270 nan 0.000 0.457 171 K N 3.538 123.869 120.400 -0.115 0.000 2.154 171 K HA 0.359 4.680 4.320 0.001 0.000 0.264 171 K C -2.472 174.118 176.600 -0.016 0.000 1.008 171 K CA -2.045 54.213 56.287 -0.049 0.000 0.937 171 K CB 0.370 32.852 32.500 -0.030 0.000 1.002 171 K HN 0.484 nan 8.250 nan 0.000 0.469 172 P HA -0.028 nan 4.420 nan 0.000 0.258 172 P C 0.572 177.889 177.300 0.029 0.000 1.187 172 P CA 0.896 64.011 63.100 0.025 0.000 0.767 172 P CB 0.064 31.782 31.700 0.029 0.000 0.770 173 G N 2.190 111.013 108.800 0.039 0.000 2.184 173 G HA2 -0.265 3.695 3.960 0.001 0.000 0.264 173 G HA3 -0.265 3.695 3.960 0.001 0.000 0.264 173 G C 0.096 175.038 174.900 0.069 0.000 0.975 173 G CA -0.109 45.022 45.100 0.053 0.000 0.642 173 G HN 0.558 nan 8.290 nan 0.000 0.536 174 Q N -0.367 119.461 119.800 0.047 0.000 2.240 174 Q HA 0.744 5.084 4.340 0.001 0.000 0.260 174 Q C 0.401 176.411 176.000 0.017 0.000 1.018 174 Q CA -0.408 55.424 55.803 0.049 0.000 0.898 174 Q CB 1.656 30.400 28.738 0.010 0.000 1.301 174 Q HN 0.678 nan 8.270 nan 0.000 0.469 175 A N 1.629 124.464 122.820 0.025 0.000 2.407 175 A HA 0.423 4.743 4.320 0.001 0.000 0.248 175 A C -2.246 175.027 177.584 -0.518 0.000 1.082 175 A CA -1.048 50.894 52.037 -0.160 0.000 0.785 175 A CB -0.407 18.647 19.000 0.091 0.000 1.020 175 A HN 0.346 nan 8.150 nan 0.000 0.489 176 P HA 0.249 nan 4.420 nan 0.000 0.272 176 P C -0.455 176.181 177.300 -1.107 0.000 1.223 176 P CA -0.220 62.175 63.100 -1.175 0.000 0.784 176 P CB 0.454 31.061 31.700 -1.821 0.000 0.923 177 R N 2.932 123.105 120.500 -0.546 0.000 2.538 177 R HA 0.375 4.716 4.340 0.001 0.000 0.292 177 R C -2.960 173.291 176.300 -0.081 0.000 1.008 177 R CA -2.470 53.465 56.100 -0.274 0.000 0.896 177 R CB 1.938 32.105 30.300 -0.221 0.000 1.187 177 R HN 0.298 nan 8.270 nan 0.000 0.440 178 P HA 0.125 nan 4.420 nan 0.000 0.271 178 P C 0.180 177.228 177.300 -0.420 0.000 1.220 178 P CA -0.118 62.855 63.100 -0.213 0.000 0.768 178 P CB 1.135 32.779 31.700 -0.094 0.000 0.848 179 L N 2.580 123.487 121.223 -0.525 0.000 2.433 179 L HA 0.290 4.630 4.340 0.001 0.000 0.200 179 L C 0.839 177.386 176.870 -0.539 0.000 1.059 179 L CA 0.604 55.150 54.840 -0.492 0.000 0.835 179 L CB 0.056 41.893 42.059 -0.371 0.000 1.076 179 L HN 0.258 nan 8.230 nan 0.000 0.481 180 I N -1.416 118.795 120.570 -0.599 0.000 2.619 180 I HA 0.331 4.501 4.170 0.001 0.000 0.292 180 I C -1.307 174.357 176.117 -0.756 0.000 1.100 180 I CA -0.305 60.696 61.300 -0.498 0.000 1.043 180 I CB 2.264 40.180 38.000 -0.141 0.000 1.239 180 I HN -0.191 nan 8.210 nan 0.000 0.420 181 Y N 2.956 123.058 120.300 -0.329 0.000 2.528 181 Y HA 0.409 4.959 4.550 0.000 0.000 0.335 181 Y C 0.373 176.079 175.900 -0.323 0.000 1.093 181 Y CA -1.386 56.354 58.100 -0.600 0.000 1.134 181 Y CB 0.912 39.064 38.460 -0.514 0.000 1.253 181 Y HN 0.562 nan 8.280 nan 0.000 0.478 182 D N 1.275 121.590 120.400 -0.142 0.000 2.689 182 D HA -0.270 4.370 4.640 0.001 0.000 0.237 182 D C 1.099 177.468 176.300 0.115 0.000 1.148 182 D CA 1.232 55.304 54.000 0.120 0.000 0.656 182 D CB -0.843 40.060 40.800 0.172 0.000 1.050 182 D HN 0.962 nan 8.370 nan 0.000 0.426 183 A N -1.531 121.351 122.820 0.103 0.000 2.070 183 A HA -0.391 3.929 4.320 0.001 0.000 0.231 183 A C 1.851 179.545 177.584 0.183 0.000 0.501 183 A CA 2.330 54.506 52.037 0.231 0.000 1.119 183 A CB -1.516 17.688 19.000 0.339 0.000 1.430 183 A HN 0.692 nan 8.150 nan 0.000 0.706 184 S N -1.647 114.114 115.700 0.102 0.000 2.679 184 S HA 0.272 4.742 4.470 0.001 0.000 0.258 184 S C 0.376 174.989 174.600 0.021 0.000 1.068 184 S CA 0.615 58.849 58.200 0.057 0.000 1.115 184 S CB 0.832 64.068 63.200 0.061 0.000 1.078 184 S HN 0.777 nan 8.310 nan 0.000 0.603 185 T N 3.585 118.153 114.554 0.024 0.000 2.749 185 T HA 0.392 4.743 4.350 0.001 0.000 0.295 185 T C 0.090 174.771 174.700 -0.033 0.000 0.936 185 T CA -0.273 61.842 62.100 0.024 0.000 1.060 185 T CB 0.688 69.603 68.868 0.078 0.000 0.904 185 T HN 0.083 nan 8.240 nan 0.000 0.500 186 R N 1.948 122.422 120.500 -0.043 0.000 2.590 186 R HA 0.500 4.840 4.340 0.001 0.000 0.274 186 R C 0.668 176.916 176.300 -0.086 0.000 1.061 186 R CA -0.132 55.903 56.100 -0.108 0.000 1.081 186 R CB 0.292 30.553 30.300 -0.064 0.000 0.984 186 R HN 0.786 nan 8.270 nan 0.000 0.448 187 A N 1.762 124.442 122.820 -0.232 0.000 2.346 187 A HA 0.217 4.538 4.320 0.001 0.000 0.252 187 A C -0.091 177.474 177.584 -0.030 0.000 1.089 187 A CA -0.388 51.598 52.037 -0.086 0.000 0.797 187 A CB 0.044 18.863 19.000 -0.302 0.000 1.047 187 A HN 0.809 nan 8.150 nan 0.000 0.494 188 T N -0.944 113.631 114.554 0.036 0.000 2.928 188 T HA 0.428 4.779 4.350 0.001 0.000 0.305 188 T C 1.295 175.989 174.700 -0.010 0.000 1.035 188 T CA 0.429 62.545 62.100 0.026 0.000 1.145 188 T CB 0.727 69.633 68.868 0.062 0.000 0.963 188 T HN 2.390 nan 8.240 nan 0.000 0.545 189 G N 1.896 110.696 108.800 -0.001 0.000 2.199 189 G HA2 -0.212 3.748 3.960 0.001 0.000 0.254 189 G HA3 -0.212 3.748 3.960 0.001 0.000 0.254 189 G C 0.142 175.023 174.900 -0.030 0.000 0.982 189 G CA -0.134 44.962 45.100 -0.007 0.000 0.632 189 G HN 0.758 nan 8.290 nan 0.000 0.529 190 I N 3.409 123.941 120.570 -0.064 0.000 2.379 190 I HA 0.293 4.463 4.170 0.001 0.000 0.290 190 I C -1.236 174.891 176.117 0.016 0.000 1.063 190 I CA -2.826 58.415 61.300 -0.098 0.000 1.351 190 I CB 0.365 38.230 38.000 -0.225 0.000 1.410 190 I HN 0.009 nan 8.210 nan 0.000 0.505 191 P HA 0.101 nan 4.420 nan 0.000 0.272 191 P C 0.148 177.534 177.300 0.144 0.000 1.230 191 P CA -0.201 62.972 63.100 0.122 0.000 0.788 191 P CB 0.746 32.526 31.700 0.133 0.000 0.949 192 D N 0.739 121.175 120.400 0.060 0.000 2.378 192 D HA -0.134 4.506 4.640 0.001 0.000 0.227 192 D C 1.415 177.706 176.300 -0.015 0.000 1.012 192 D CA 0.535 54.551 54.000 0.027 0.000 0.905 192 D CB -0.475 40.327 40.800 0.002 0.000 0.895 192 D HN 0.479 nan 8.370 nan 0.000 0.532 193 R N -0.375 120.093 120.500 -0.053 0.000 2.189 193 R HA 0.024 4.365 4.340 0.001 0.000 0.218 193 R C 0.110 176.210 176.300 -0.333 0.000 1.074 193 R CA 0.180 56.157 56.100 -0.205 0.000 0.991 193 R CB -0.691 29.440 30.300 -0.282 0.000 0.883 193 R HN 0.025 nan 8.270 nan 0.000 0.457 194 F N 2.348 122.214 119.950 -0.140 0.000 2.427 194 F HA 0.221 4.748 4.527 0.000 0.000 0.352 194 F C 0.481 176.177 175.800 -0.175 0.000 1.100 194 F CA -0.041 57.849 58.000 -0.183 0.000 1.191 194 F CB 1.391 40.290 39.000 -0.168 0.000 1.128 194 F HN 0.103 nan 8.300 nan 0.000 0.533 195 S N 1.789 117.451 115.700 -0.064 0.000 2.546 195 S HA 0.851 5.322 4.470 0.001 0.000 0.272 195 S C -0.711 173.797 174.600 -0.152 0.000 1.140 195 S CA -0.752 57.397 58.200 -0.087 0.000 0.920 195 S CB 1.525 64.674 63.200 -0.083 0.000 1.083 195 S HN 0.925 nan 8.310 nan 0.000 0.476 196 G N 0.281 109.014 108.800 -0.111 0.000 2.473 196 G HA2 0.758 4.718 3.960 0.001 0.000 0.321 196 G HA3 0.758 4.718 3.960 0.001 0.000 0.321 196 G C -1.066 173.845 174.900 0.017 0.000 1.200 196 G CA -0.836 44.207 45.100 -0.095 0.000 0.963 196 G HN 1.153 nan 8.290 nan 0.000 0.483 197 S N -1.170 114.586 115.700 0.094 0.000 2.537 197 S HA 0.845 5.315 4.470 0.001 0.000 0.271 197 S C -0.348 174.342 174.600 0.151 0.000 1.148 197 S CA 0.560 58.814 58.200 0.090 0.000 0.868 197 S CB 1.344 64.553 63.200 0.015 0.000 1.115 197 S HN 2.531 nan 8.310 nan 0.000 0.461 198 G N 1.308 110.143 108.800 0.058 0.000 2.375 198 G HA2 0.387 4.348 3.960 0.001 0.000 0.663 198 G HA3 0.387 4.348 3.960 0.001 0.000 0.663 198 G C -1.002 173.794 174.900 -0.174 0.000 1.391 198 G CA -0.053 44.941 45.100 -0.176 0.000 0.949 198 G HN 1.322 nan 8.290 nan 0.000 0.646 199 S N -0.049 115.425 115.700 -0.377 0.000 2.566 199 S HA 0.902 5.372 4.470 0.001 0.000 0.273 199 S C 0.727 175.175 174.600 -0.253 0.000 1.157 199 S CA 1.382 59.487 58.200 -0.159 0.000 0.938 199 S CB 1.005 64.199 63.200 -0.010 0.000 1.087 199 S HN 2.907 nan 8.310 nan 0.000 0.474 200 G N 3.245 112.005 108.800 -0.066 0.000 2.938 200 G HA2 -0.215 3.745 3.960 0.001 0.000 0.234 200 G HA3 -0.215 3.745 3.960 0.001 0.000 0.234 200 G C 0.771 175.721 174.900 0.082 0.000 1.707 200 G CA 1.041 46.135 45.100 -0.012 0.000 1.299 200 G HN 1.693 nan 8.290 nan 0.000 0.515 201 T N -2.261 112.252 114.554 -0.068 0.000 2.954 201 T HA 0.404 4.754 4.350 0.001 0.000 0.252 201 T C 0.214 174.921 174.700 0.011 0.000 0.983 201 T CA 1.248 63.410 62.100 0.105 0.000 0.941 201 T CB 0.839 69.747 68.868 0.066 0.000 1.141 201 T HN 0.508 nan 8.240 nan 0.000 0.500 202 D N 0.769 120.975 120.400 -0.324 0.000 2.373 202 D HA 0.540 5.181 4.640 0.001 0.000 0.227 202 D C -1.508 174.512 176.300 -0.467 0.000 1.091 202 D CA -0.711 53.158 54.000 -0.219 0.000 0.840 202 D CB 0.315 41.029 40.800 -0.144 0.000 1.060 202 D HN 0.209 nan 8.370 nan 0.000 0.502 203 F N 1.028 121.047 119.950 0.115 0.000 2.565 203 F HA 0.458 4.985 4.527 0.000 0.000 0.313 203 F C 0.597 176.550 175.800 0.256 0.000 1.091 203 F CA -0.811 57.305 58.000 0.193 0.000 0.915 203 F CB 2.293 41.442 39.000 0.249 0.000 1.208 203 F HN 0.086 nan 8.300 nan 0.000 0.453 204 T N 0.540 115.308 114.554 0.357 0.000 2.907 204 T HA 0.768 5.118 4.350 0.001 0.000 0.292 204 T C -1.684 172.925 174.700 -0.152 0.000 1.043 204 T CA -0.811 61.367 62.100 0.130 0.000 1.003 204 T CB 1.943 70.814 68.868 0.004 0.000 1.084 204 T HN 0.535 nan 8.240 nan 0.000 0.483 205 L N 1.842 122.713 121.223 -0.587 0.000 2.343 205 L HA 0.670 5.011 4.340 0.001 0.000 0.278 205 L C -0.578 175.969 176.870 -0.537 0.000 0.996 205 L CA -0.090 54.217 54.840 -0.888 0.000 0.831 205 L CB 1.836 42.814 42.059 -1.802 0.000 1.232 205 L HN 0.943 nan 8.230 nan 0.000 0.413 206 T N 6.696 121.020 114.554 -0.382 0.000 2.771 206 T HA 0.585 4.936 4.350 0.001 0.000 0.281 206 T C -0.020 174.462 174.700 -0.363 0.000 0.982 206 T CA -0.017 61.895 62.100 -0.314 0.000 0.978 206 T CB 0.579 69.315 68.868 -0.220 0.000 0.930 206 T HN 0.436 nan 8.240 nan 0.000 0.447 207 I N 3.111 123.421 120.570 -0.434 0.000 2.371 207 I HA 0.280 4.450 4.170 0.001 0.000 0.282 207 I C 0.469 176.317 176.117 -0.449 0.000 1.031 207 I CA -0.531 60.414 61.300 -0.592 0.000 1.180 207 I CB 0.933 38.499 38.000 -0.723 0.000 1.336 207 I HN 0.506 nan 8.210 nan 0.000 0.467 208 S N 4.879 120.346 115.700 -0.388 0.000 2.632 208 S HA 0.428 4.899 4.470 0.001 0.000 0.271 208 S C 0.400 174.834 174.600 -0.275 0.000 1.260 208 S CA -0.741 57.295 58.200 -0.272 0.000 1.010 208 S CB 0.794 63.873 63.200 -0.203 0.000 0.965 208 S HN 0.641 nan 8.310 nan 0.000 0.534 209 R N 0.185 120.568 120.500 -0.194 0.000 3.188 209 R HA -0.166 4.175 4.340 0.001 0.000 0.247 209 R C -0.824 175.358 176.300 -0.198 0.000 0.918 209 R CA -0.032 55.973 56.100 -0.158 0.000 0.629 209 R CB -1.867 28.354 30.300 -0.131 0.000 1.087 209 R HN 0.486 nan 8.270 nan 0.000 0.462 210 L N 1.088 122.178 121.223 -0.222 0.000 2.615 210 L HA -0.088 4.252 4.340 0.001 0.000 0.284 210 L C 0.983 177.738 176.870 -0.191 0.000 1.237 210 L CA 0.876 55.537 54.840 -0.299 0.000 0.905 210 L CB 0.244 42.101 42.059 -0.338 0.000 1.149 210 L HN 0.278 nan 8.230 nan 0.000 0.499 211 E N 4.770 124.841 120.200 -0.215 0.000 2.221 211 E HA 0.285 4.635 4.350 0.001 0.000 0.268 211 E C -1.728 174.873 176.600 0.001 0.000 0.933 211 E CA -1.729 54.632 56.400 -0.066 0.000 0.809 211 E CB 1.648 31.322 29.700 -0.045 0.000 1.190 211 E HN 0.178 nan 8.360 nan 0.000 0.406 212 P HA -0.236 nan 4.420 nan 0.000 0.219 212 P C -0.212 177.258 177.300 0.282 0.000 1.153 212 P CA 1.537 64.820 63.100 0.304 0.000 0.865 212 P CB 0.215 32.015 31.700 0.168 0.000 0.788 213 E N -1.558 118.724 120.200 0.137 0.000 2.502 213 E HA -0.053 4.297 4.350 0.001 0.000 0.194 213 E C 1.029 177.691 176.600 0.103 0.000 1.062 213 E CA 0.533 57.003 56.400 0.117 0.000 0.867 213 E CB -0.701 29.051 29.700 0.086 0.000 0.888 213 E HN 0.313 nan 8.360 nan 0.000 0.510 214 D N -0.011 120.392 120.400 0.004 0.000 2.348 214 D HA 0.007 4.647 4.640 0.001 0.000 0.211 214 D C -0.383 175.896 176.300 -0.035 0.000 0.998 214 D CA 0.164 54.166 54.000 0.002 0.000 0.873 214 D CB 0.005 40.660 40.800 -0.241 0.000 0.925 214 D HN 0.172 nan 8.370 nan 0.000 0.524 215 F N 1.205 121.248 119.950 0.154 0.000 2.471 215 F HA 0.438 4.966 4.527 0.001 0.000 0.365 215 F C 0.906 176.766 175.800 0.101 0.000 1.095 215 F CA -0.235 57.846 58.000 0.135 0.000 1.174 215 F CB 0.656 39.699 39.000 0.072 0.000 1.105 215 F HN -0.168 nan 8.300 nan 0.000 0.535 216 A N 2.005 124.978 122.820 0.255 0.000 2.456 216 A HA 0.662 4.982 4.320 0.001 0.000 0.294 216 A C -1.678 175.908 177.584 0.003 0.000 1.057 216 A CA -0.843 51.208 52.037 0.022 0.000 0.623 216 A CB 0.428 19.298 19.000 -0.217 0.000 1.338 216 A HN 0.272 nan 8.150 nan 0.000 0.464 217 V N 0.465 120.309 119.914 -0.117 0.000 2.567 217 V HA 0.530 4.651 4.120 0.001 0.000 0.289 217 V C -1.121 174.819 176.094 -0.256 0.000 1.049 217 V CA -0.034 62.220 62.300 -0.076 0.000 0.969 217 V CB 1.004 32.802 31.823 -0.042 0.000 0.995 217 V HN 0.667 nan 8.190 nan 0.000 0.471 218 Y N 3.174 123.457 120.300 -0.029 0.000 2.350 218 Y HA 0.601 5.151 4.550 0.000 0.000 0.338 218 Y C -0.624 175.301 175.900 0.043 0.000 0.961 218 Y CA -0.636 57.529 58.100 0.109 0.000 1.100 218 Y CB 1.623 40.184 38.460 0.168 0.000 1.179 218 Y HN 0.510 nan 8.280 nan 0.000 0.454 219 Y N 2.155 122.663 120.300 0.347 0.000 2.364 219 Y HA 0.491 5.041 4.550 0.000 0.000 0.340 219 Y C 0.149 176.131 175.900 0.137 0.000 0.975 219 Y CA -1.261 56.986 58.100 0.246 0.000 1.089 219 Y CB 1.304 39.897 38.460 0.221 0.000 1.192 219 Y HN 0.763 nan 8.280 nan 0.000 0.454 220 c N 2.881 121.396 118.600 -0.142 0.000 2.405 220 c HA 0.746 5.316 4.570 0.001 0.000 0.365 220 c C -0.497 173.429 174.090 -0.274 0.000 1.233 220 c CA -0.571 55.316 56.329 -0.737 0.000 2.230 220 c CB 1.093 42.747 42.510 -1.426 0.000 2.443 220 c HN 0.863 nan 8.230 nan 0.000 0.556 221 Q N 1.834 121.414 119.800 -0.366 0.000 2.289 221 Q HA 0.455 4.795 4.340 0.001 0.000 0.270 221 Q C -1.391 174.402 176.000 -0.345 0.000 1.038 221 Q CA -0.050 55.513 55.803 -0.400 0.000 0.812 221 Q CB 2.252 30.766 28.738 -0.373 0.000 1.300 221 Q HN 0.983 nan 8.270 nan 0.000 0.427 222 Q N 2.177 121.768 119.800 -0.348 0.000 2.245 222 Q HA 0.435 4.775 4.340 0.001 0.000 0.256 222 Q C 0.068 175.913 176.000 -0.259 0.000 0.942 222 Q CA -0.356 55.296 55.803 -0.252 0.000 0.896 222 Q CB 1.551 30.153 28.738 -0.226 0.000 1.272 222 Q HN 0.754 nan 8.270 nan 0.000 0.442 223 R N 0.582 120.952 120.500 -0.216 0.000 2.344 223 R HA 0.173 4.514 4.340 0.001 0.000 0.209 223 R C 0.928 177.084 176.300 -0.241 0.000 0.886 223 R CA 0.750 56.679 56.100 -0.285 0.000 1.040 223 R CB 0.027 30.060 30.300 -0.445 0.000 1.114 223 R HN 0.671 nan 8.270 nan 0.000 0.547 224 S N 0.317 115.911 115.700 -0.177 0.000 2.446 224 S HA 0.091 4.561 4.470 0.001 0.000 0.225 224 S C 0.322 174.871 174.600 -0.086 0.000 1.016 224 S CA -0.188 57.934 58.200 -0.130 0.000 0.943 224 S CB -0.279 62.871 63.200 -0.083 0.000 0.786 224 S HN 0.200 nan 8.310 nan 0.000 0.508 225 N N 1.404 120.056 118.700 -0.081 0.000 2.425 225 N HA 0.218 4.958 4.740 0.001 0.000 0.268 225 N C -1.154 174.335 175.510 -0.035 0.000 0.991 225 N CA -0.445 52.586 53.050 -0.033 0.000 0.931 225 N CB 0.600 39.069 38.487 -0.031 0.000 1.130 225 N HN 0.482 nan 8.380 nan 0.000 0.493 226 W N 4.909 126.115 121.300 -0.157 0.000 2.238 226 W HA 0.252 4.912 4.660 0.000 0.000 0.321 226 W C -2.118 174.349 176.519 -0.087 0.000 1.293 226 W CA -0.939 56.302 57.345 -0.172 0.000 1.204 226 W CB 0.671 30.029 29.460 -0.170 0.000 1.167 226 W HN 0.386 nan 8.180 nan 0.000 0.553 227 P HA 0.334 nan 4.420 nan 0.000 0.281 227 P C -2.687 174.129 177.300 -0.806 0.000 1.264 227 P CA -1.737 60.522 63.100 -1.402 0.000 0.824 227 P CB 0.371 31.471 31.700 -1.000 0.000 1.092 228 P HA 0.078 nan 4.420 nan 0.000 0.264 228 P C -0.143 176.950 177.300 -0.345 0.000 1.193 228 P CA 0.645 63.361 63.100 -0.640 0.000 0.763 228 P CB -0.058 31.153 31.700 -0.814 0.000 0.810 229 T N 0.208 114.576 114.554 -0.311 0.000 2.906 229 T HA 0.748 5.099 4.350 0.001 0.000 0.295 229 T C -0.849 173.690 174.700 -0.269 0.000 1.075 229 T CA -0.669 61.358 62.100 -0.122 0.000 1.005 229 T CB 0.914 69.746 68.868 -0.059 0.000 1.136 229 T HN -0.011 nan 8.240 nan 0.000 0.498 230 F N 0.159 120.113 119.950 0.005 0.000 2.522 230 F HA 0.707 5.234 4.527 0.001 0.000 0.324 230 F C 1.176 177.015 175.800 0.065 0.000 1.077 230 F CA -0.701 57.322 58.000 0.038 0.000 0.944 230 F CB 1.680 40.704 39.000 0.041 0.000 1.175 230 F HN 1.029 nan 8.300 nan 0.000 0.468 231 G N 0.513 109.461 108.800 0.247 0.000 2.684 231 G HA2 0.199 4.160 3.960 0.001 0.000 0.255 231 G HA3 0.199 4.160 3.960 0.001 0.000 0.255 231 G C 0.238 175.308 174.900 0.284 0.000 1.219 231 G CA -0.383 44.822 45.100 0.174 0.000 0.901 231 G HN 0.551 nan 8.290 nan 0.000 0.548 232 Q N -0.268 119.625 119.800 0.155 0.000 2.403 232 Q HA 0.239 4.579 4.340 0.001 0.000 0.203 232 Q C 1.187 177.163 176.000 -0.040 0.000 0.932 232 Q CA 0.697 56.590 55.803 0.151 0.000 0.945 232 Q CB 0.191 28.986 28.738 0.096 0.000 1.045 232 Q HN 1.213 nan 8.270 nan 0.000 0.511 233 G N 0.321 108.988 108.800 -0.222 0.000 2.663 233 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 233 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 233 G C -0.801 173.990 174.900 -0.182 0.000 1.246 233 G CA -0.628 44.143 45.100 -0.549 0.000 0.795 233 G HN 0.032 nan 8.290 nan 0.000 0.627 234 T N 1.313 115.814 114.554 -0.087 0.000 2.840 234 T HA 0.514 4.865 4.350 0.001 0.000 0.287 234 T C 0.182 174.931 174.700 0.082 0.000 0.991 234 T CA -0.577 61.544 62.100 0.036 0.000 0.964 234 T CB 1.571 70.501 68.868 0.103 0.000 0.954 234 T HN 0.695 nan 8.240 nan 0.000 0.438 235 K N 3.502 123.942 120.400 0.067 0.000 2.285 235 K HA 0.436 4.756 4.320 0.001 0.000 0.286 235 K C -0.653 176.041 176.600 0.158 0.000 1.072 235 K CA -0.455 55.897 56.287 0.107 0.000 0.913 235 K CB 0.390 32.931 32.500 0.069 0.000 1.067 235 K HN 0.331 nan 8.250 nan 0.000 0.479 236 V N 6.149 126.215 119.914 0.252 0.000 2.368 236 V HA 0.140 4.260 4.120 0.001 0.000 0.266 236 V C -0.146 176.190 176.094 0.402 0.000 1.045 236 V CA -0.421 62.041 62.300 0.269 0.000 0.899 236 V CB 0.545 32.493 31.823 0.208 0.000 1.006 236 V HN 0.850 nan 8.190 nan 0.000 0.470 237 E N 3.993 124.382 120.200 0.315 0.000 2.277 237 E HA 0.700 5.050 4.350 0.001 0.000 0.266 237 E C -1.160 175.411 176.600 -0.048 0.000 0.901 237 E CA -1.070 55.428 56.400 0.164 0.000 0.782 237 E CB 2.135 31.870 29.700 0.060 0.000 1.228 237 E HN 0.235 nan 8.360 nan 0.000 0.424 238 V N 2.289 121.925 119.914 -0.464 0.000 2.655 238 V HA 0.004 4.124 4.120 0.001 0.000 0.300 238 V C 0.655 176.596 176.094 -0.254 0.000 1.044 238 V CA -0.218 61.679 62.300 -0.672 0.000 1.095 238 V CB 0.709 32.102 31.823 -0.717 0.000 0.952 238 V HN 0.607 nan 8.190 nan 0.000 0.485 239 K N 3.541 123.841 120.400 -0.167 0.000 2.382 239 K HA 0.132 4.452 4.320 0.001 0.000 0.286 239 K C 0.104 176.656 176.600 -0.079 0.000 1.062 239 K CA 0.299 56.541 56.287 -0.075 0.000 1.000 239 K CB 0.358 32.839 32.500 -0.032 0.000 0.954 239 K HN 0.759 nan 8.250 nan 0.000 0.470 240 S N 1.408 117.070 115.700 -0.062 0.000 2.545 240 S HA 0.492 4.962 4.470 0.001 0.000 0.275 240 S C -0.047 174.533 174.600 -0.034 0.000 1.299 240 S CA 0.036 58.206 58.200 -0.050 0.000 1.048 240 S CB 1.179 64.354 63.200 -0.042 0.000 0.938 240 S HN 0.808 nan 8.310 nan 0.000 0.496 241 G N 2.596 111.378 108.800 -0.029 0.000 3.439 241 G HA2 -0.112 3.849 3.960 0.001 0.000 0.684 241 G HA3 -0.112 3.849 3.960 0.001 0.000 0.684 241 G C -0.775 174.113 174.900 -0.020 0.000 1.005 241 G CA -1.088 43.999 45.100 -0.021 0.000 0.837 241 G HN 0.446 nan 8.290 nan 0.000 0.470 242 L N 1.375 122.587 121.223 -0.017 0.000 2.483 242 L HA 0.384 4.725 4.340 0.001 0.000 0.277 242 L C 1.641 178.504 176.870 -0.011 0.000 1.248 242 L CA 0.133 54.964 54.840 -0.015 0.000 0.825 242 L CB 0.873 42.924 42.059 -0.013 0.000 1.096 242 L HN 1.329 nan 8.230 nan 0.000 0.512 243 V N -0.437 119.471 119.914 -0.009 0.000 2.435 243 V HA 0.451 4.572 4.120 0.001 0.000 0.263 243 V C -1.376 174.714 176.094 -0.007 0.000 1.087 243 V CA -1.024 61.272 62.300 -0.008 0.000 1.253 243 V CB -0.553 31.267 31.823 -0.007 0.000 1.462 243 V HN 0.877 nan 8.190 nan 0.000 0.547 244 P HA 0.000 nan 4.420 nan 0.000 0.216 244 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 244 P CB 0.000 31.696 31.700 -0.006 0.000 0.726